CID 132398510

2104989-86-6

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1=NC2=C(O1)CCCC2CC#N
InChI
InChI=1S/C10H12N2O/c1-7-12-10-8(5-6-11)3-2-4-9(10)13-7/h8H,2-5H2,1H3
InChIKey
PLQUEAJMHWMBTG-UHFFFAOYSA-N
Compound name
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 134.4
[M+Na]+ 199.08418 145.1
[M-H]- 175.08768 137.2
[M+NH4]+ 194.12878 153.0
[M+K]+ 215.05812 141.7
[M+H-H2O]+ 159.09222 121.6
[M+HCOO]- 221.09316 151.2
[M+CH3COO]- 235.10881 192.8
[M+Na-2H]- 197.06963 140.1
[M]+ 176.09441 129.6
[M]- 176.09551 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.